2-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethoxy]-N-benzylbenzamide

C26H24N2O4 — CID 41134830

IUPAC2-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethoxy]-N-benzylbenzamide
SMILESC[C@H](NC(=O)COc1ccccc1C(=O)NCc1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C26H24N2O4/c1-18(24-15-20-11-5-7-13-22(20)32-24)28-25(29)17-31-23-14-8-6-12-21(23)26(30)27-16-19-9-3-2-4-10-19/h2-15,18H,16-17H2,1H3,(H,27,30)(H,28,29)/t18-/m0/s1
InChIKeyUKQQYTWPNIFPQP-SFHVURJKSA-N
MW428.49 g/mol
LogP4.62
Rot. Bonds8

About 2-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethoxy]-N-benzylbenzamide

2-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethoxy]-N-benzylbenzamide (PubChem CID 41134830) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is 2-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethoxy]-N-benzylbenzamide.

Molecular Properties

Compound Name2-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethoxy]-N-benzylbenzamide
PubChem CID41134830
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC Name2-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethoxy]-N-benzylbenzamide
SMILESC[C@H](NC(=O)COc1ccccc1C(=O)NCc1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C26H24N2O4/c1-18(24-15-20-11-5-7-13-22(20)32-24)28-25(29)17-31-23-14-8-6-12-21(23)26(30)27-16-19-9-3-2-4-10-19/h2-15,18H,16-17H2,1H3,(H,27,30)(H,28,29)/t18-/m0/s1
InChIKeyUKQQYTWPNIFPQP-SFHVURJKSA-N
XLogP4.62
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 8841979
N-benzyl-2-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethoxy]benzamide
CID 7981698
N-[1-(1-benzofuran-2-yl)ethyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 42926696
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 9365848
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2,5-dichlorophenoxy)acetamide
CID 8578495
2-(2-anilino-2-oxoethoxy)-N-benzylbenzamide
CID 4800998
N-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 9367319
4-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethoxy]benzamide
CID 8566320
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(3-chlorophenoxy)acetamide
CID 9013193
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
N-benzyl-2-[2-[(4-fluorophenyl)methylamino]-2-oxoethoxy]benzamide
CID 7981561

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethoxy]-N-benzylbenzamide?
The IUPAC name of 2-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethoxy]-N-benzylbenzamide (CID 41134830) is 2-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethoxy]-N-benzylbenzamide.
What is the SMILES notation for 2-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethoxy]-N-benzylbenzamide?
The canonical SMILES for 2-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethoxy]-N-benzylbenzamide is C[C@H](NC(=O)COc1ccccc1C(=O)NCc1ccccc1)c1cc2ccccc2o1.
What is the InChIKey of 2-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethoxy]-N-benzylbenzamide?
The InChIKey is UKQQYTWPNIFPQP-SFHVURJKSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-18(24-15-20-11-5-7-13-22(20)32-24)28-25(29)17-31-23-14-8-6-12-21(23)26(30)27-16-19-9-3-2-4-10-19/h2-15,18H,16-17H2,1H3,(H,27,30)(H,28,29)/t18-/m0/s1.
What are the key properties of 2-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethoxy]-N-benzylbenzamide?
2-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethoxy]-N-benzylbenzamide has a molecular weight of 428.49 g/mol, XLogP of 4.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethoxy]-N-benzylbenzamide is sourced from PubChem (CID 41134830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).